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Declaben

Declaben structure

CAS No:
111149-90-7
Formula:
C25H41ClO3
Chemical Name:
Declaben
Synonyms:
Declaben;Benzoic acid, 2-chloro-4-(1-hydroxyoctadecyl)-;Lodelabenum;Lodelabenum [inn-latin];SC-39026;Lodelaben (SC-39026);Lodelaben

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Declaben Basic Attributes

Molecular Weight：

425.04

Exact Mass：

425.04

Color/Form：

White to off-white

Characteristics

PSA：

57.5

XLogP3：

10.1

Density：

1.038±0.06 g/cm3(Predicted)

Boiling Point：

539.8±40.0 °C(Predicted)

Vapor Pressure：

1.76E-12mmHg at 25°C

PKA：

3.09±0.25(Predicted)

Critical Temperature & Pressure：

Store at -20°C

Drug Information

MeSH Entry Terms：

2-chloro-4-(1-hydroxyoctadecyl)benzoic acid

Declaben Use and Manufacturing

Anti arthritic; emphysema therapy adjunct.

Computed Properties

Molecular Weight:425.0
XLogP3:10.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:18
Exact Mass:424.2744229
Monoisotopic Mass:424.2744229
Topological Polar Surface Area:57.5
Heavy Atom Count:29
Complexity:402
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Declaben

Basic Attributes
Characteristics
Drug Information
Use and Manufacturing
Computed Properties

Declaben

SDS

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